BDBM50315049 1-(4-(4,6-di(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl)phenyl)-3-(4-((4-methylpiperazin-1-yl)methyl)phenyl)urea::CHEMBL1092392

SMILES: CN1CCN(Cc2ccc(NC(=O)Nc3ccc(cc3)-c3nc(nc(n3)N3C4CCC3COC4)N3C4CCC3COC4)cc2)CC1

InChI Key: InChIKey=YVBGWYMZUVOVAI-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50315049   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50315049 (1-(4-(4,6-di(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-...) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(cc3)-c3nc(nc(n3)N3C4CCC3COC4)N3C4CCC3COC4)cc2)CC1 Show InChI InChI=1S/C34H43N9O3/c1-40-14-16-41(17-15-40)18-23-2-6-25(7-3-23)35-34(44)36-26-8-4-24(5-9-26)31-37-32(42-27-10-11-28(42)20-45-19-27)39-33(38-31)43-29-12-13-30(43)22-46-21-29/h2-9,27-30H,10-22H2,1H3,(H2,35,36,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha after 15 to 30 mins by fluorescence polarization assay				Bioorg Med Chem Lett 20: 2648-53 (2010) Article DOI: 10.1016/j.bmcl.2010.02.031 BindingDB Entry DOI: 10.7270/Q2DZ08GK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50315049 (1-(4-(4,6-di(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-...) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(cc3)-c3nc(nc(n3)N3C4CCC3COC4)N3C4CCC3COC4)cc2)CC1 Show InChI InChI=1S/C34H43N9O3/c1-40-14-16-41(17-15-40)18-23-2-6-25(7-3-23)35-34(44)36-26-8-4-24(5-9-26)31-37-32(42-27-10-11-28(42)20-45-19-27)39-33(38-31)43-29-12-13-30(43)22-46-21-29/h2-9,27-30H,10-22H2,1H3,(H2,35,36,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 2648-53 (2010) Article DOI: 10.1016/j.bmcl.2010.02.031 BindingDB Entry DOI: 10.7270/Q2DZ08GK
					More data for this Ligand-Target Pair